ethyl 4-[[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzoate

C24H26N4O3 — CID 53132211

IUPACethyl 4-[[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2c(C(=O)N3CCCCC3)cnc3nc(C)ccc23)cc1
InChIInChI=1S/C24H26N4O3/c1-3-31-24(30)17-8-10-18(11-9-17)27-21-19-12-7-16(2)26-22(19)25-15-20(21)23(29)28-13-5-4-6-14-28/h7-12,15H,3-6,13-14H2,1-2H3,(H,25,26,27)
InChIKeyHPWMWTCYTZWXNL-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.48
Rot. Bonds5

About ethyl 4-[[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzoate

ethyl 4-[[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzoate (PubChem CID 53132211) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is ethyl 4-[[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzoate
PubChem CID53132211
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Nameethyl 4-[[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2c(C(=O)N3CCCCC3)cnc3nc(C)ccc23)cc1
InChIInChI=1S/C24H26N4O3/c1-3-31-24(30)17-8-10-18(11-9-17)27-21-19-12-7-16(2)26-22(19)25-15-20(21)23(29)28-13-5-4-6-14-28/h7-12,15H,3-6,13-14H2,1-2H3,(H,25,26,27)
InChIKeyHPWMWTCYTZWXNL-UHFFFAOYSA-N
XLogP4.48
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride
CID 146063892
[4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063801
4-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile
CID 53132181
ethyl 3-[[7-methyl-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-4-yl]amino]benzoate
CID 95092578
[4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
CID 53132213
4-[[7-methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino]benzamide
CID 53132253
azepan-1-yl-[4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride
CID 146063835
[4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064188
[4-(2-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 146063762
[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063793
[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063816
2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride
CID 146063790

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzoate?
The IUPAC name of ethyl 4-[[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzoate (CID 53132211) is ethyl 4-[[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzoate?
The canonical SMILES for ethyl 4-[[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzoate is CCOC(=O)c1ccc(Nc2c(C(=O)N3CCCCC3)cnc3nc(C)ccc23)cc1.
What is the InChIKey of ethyl 4-[[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzoate?
The InChIKey is HPWMWTCYTZWXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-3-31-24(30)17-8-10-18(11-9-17)27-21-19-12-7-16(2)26-22(19)25-15-20(21)23(29)28-13-5-4-6-14-28/h7-12,15H,3-6,13-14H2,1-2H3,(H,25,26,27).
What are the key properties of ethyl 4-[[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzoate?
ethyl 4-[[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzoate has a molecular weight of 418.50 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzoate is sourced from PubChem (CID 53132211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).